SCHEMBL18782928

SCHEMBL18782928

O=C(O)CCc1cnc(O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.41
▸ PLAU P00749 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ TBXAS1 P24557 3/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE9A O76083 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13187438 0.82 ALDH1A1 (0.47) CYP1A2HSD17B10P4HTMKDM4E
SCHEMBL23824708 0.78 AOC3 (0.49) CYP1A2CYP2C9HSD17B10P4HTMPLAU
SCHEMBL3396659 0.78 CYP1A2 (0.42) CYP1A2CYP2C9HSD17B10P4HTMPLAU
SCHEMBL889024 0.78 HRH4 (0.55) CYP1A2CYP2C9HSD17B10P4HTMNPSR1
SCHEMBL7112651 0.78 CYP1A2 (0.42) CYP1A2CYP2C9HSD17B10P4HTMNPSR1
SCHEMBL5201259 0.76 PDE9A (0.40) CYP1A2CYP2C9HSD17B10P4HTMNPSR1
SCHEMBL13187466 0.71 DAO (0.36) KDM4E
SCHEMBL9314265 0.71 KEAP1 (0.50) CYP1A2CYP2C9HSD17B10TBXAS1CHRM1
SCHEMBL59078 0.71 SLC7A5 (0.54) CYP1A2CYP2C9HSD17B10NPSR1NR1H4
SCHEMBL7841006 0.69 NR1H4 (0.40) CYP1A2CYP2C9HSD17B10NPSR1NR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP1A2 175/4885CYP2C9 324/4885HSD17B10 906/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP1A2 122/4885CYP2C9 177/4885HSD17B10 1025/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP1A2 122/4885CYP2C9 177/4885HSD17B10 1025/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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